SCHEMBL9399514

SCHEMBL9399514

COC(=O)CSc1cccc(Br)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
HPGD P15428 2/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
PRNP P04156 3/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31742465 0.85 LMNA (0.61) HSD17B10RXFP1HPGDALDH1A1HTR1A
SCHEMBL31555055 0.80 KDM4E (0.54) HSD17B10RXFP1HPGDALDH1A1HTR1A
SCHEMBL31742468 0.78 ATM (0.47) HSD17B10HPGDMAPK1ALDH1A1HTR1A
SCHEMBL9399130 0.78 HSD17B10 (0.52) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL13217511 0.78 ALDH1A1 (0.49) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL13199783 0.78 HSD17B10 (0.49) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL29130945 0.76 HPGD (0.47) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL3759901 0.74 LMNA (0.72) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL27261477 0.73 CXCR1 (0.46) HSD17B10RXFP1HPGDMAPK1ALDH1A1
SCHEMBL30825924 0.73 CXCR1 (0.46) HSD17B10RXFP1HPGDMAPK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310919-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-5120734-A FUNGICIDAL PYRID-2-YL-AMINO ACETIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed